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157590-60-8 | 1,2-Benzenediamine, 4-bromo-5-(trifluoromethyl)-
CAS No: 157590-60-8 Catalog No: AG001PJ1 MDL No:MFCD09263998
Product Description
Catalog Number:
AG001PJ1
Chemical Name:
1,2-Benzenediamine, 4-bromo-5-(trifluoromethyl)-
CAS Number:
157590-60-8
Molecular Formula:
C7H6BrF3N2
Molecular Weight:
255.0351
MDL Number:
MFCD09263998
IUPAC Name:
4-bromo-5-(trifluoromethyl)benzene-1,2-diamine
InChI:
InChI=1S/C7H6BrF3N2/c8-4-2-6(13)5(12)1-3(4)7(9,10)11/h1-2H,12-13H2
InChI Key:
AKIMDXKCJKECRS-UHFFFAOYSA-N
SMILES:
Nc1cc(Br)c(cc1N)C(F)(F)F
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.967g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.038g/mol
Monoisotopic Mass:
253.967g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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